6-phenylsulfanyl-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-phenylsulfanyl-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-phenylsulfanyl-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-(phenylthio)-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-phenylsulfanyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(phenylthio)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H15N5S MolecularWeight: 309.3888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2N)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2N)NCC3=CN=CC=C3

InChI

InChI=1S/C16H15N5S/c17-14-15(19-10-12-5-4-8-18-9-12)20-11-21-16(14)22-13-6-2-1-3-7-13/h1-9,11H,10,17H2,(H,19,20,21)