Structural Complex
Chemical ID: A1DN4
IUPAC Name: 6,7-dihydrothieno[3,2-d]pyrimidin-2-amine
Formal Charge: 0
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: c1ncc2c(n1)CCS2
InChI: InChI=1S/C6H6N2S/c1-2-9-6-3-7-4-8-5(1)6/h3-4H,1-2H2
InChI Key: ZYZUAFBOKCIMTE-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C6 H7 N3 S
Molecular weight: 153.205
Hydrogen Bond Acceptor: 4
Hydrogen Bond Donor: 1
Rotatable Bonds: 1
Heavy Atoms: 10
Systematic name
Program Version Descriptor
ACDLabs 14.52 6,7-dihydrothieno[3,2-d]pyrimidin-2-amine
OpenEye OEToolkits 3.1.0.0 6,7-dihydrothieno[3,2-d]pyrimidin-2-amine
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 14.52 Nc1ncc2SCCc2n1
InChI InChI 1.06 InChI=1S/C6H7N3S/c7-6-8-3-5-4(9-6)1-2-10-5/h3H,1-2H2,(H2,7,8,9)
InChIKey InChI 1.06 HIOORSCEWXZQPB-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 Nc1ncc2SCCc2n1
SMILES CACTVS 3.385 Nc1ncc2SCCc2n1
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 c1c2c(nc(n1)N)CCS2
SMILES OpenEye OEToolkits 3.1.0.0 c1c2c(nc(n1)N)CCS2
Feedback Form
Name
Email
Institute
Feedback