4-[2-chloranyl-8-(phenylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]thiomorpholine

Systemtic Name: 4-[2-chloranyl-8-(phenylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]thiomorpholine Openeye Name: 4-(8-benzylsulfanyl-2-chloro-pyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine CAS Name: 4-[2-chloro-8-(phenylmethylthio)-4-pyrimido[5,4-d]pyrimidinyl]thiomorpholine IUPAC Name: 4-(8-benzylsulfanyl-2-chloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine Traditional Name: 4-[8-(benzylthio)-2-chloro-pyrimido[5,4-d]pyrimidin-4-yl]thiomorpholine Formula: C17H16ClN5S2 MolecularWeight: 389.92544

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CSCCN1C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC=C4)Cl

InChI

InChI=1S/C17H16ClN5S2/c18-17-21-14-13(15(22-17)23-6-8-24-9-7-23)19-11-20-16(14)25-10-12-4-2-1-3-5-12/h1-5,11H,6-10H2