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

Systemtic Name: 4-[2-chloranyl-8-(phenylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]-2-methyl-morpholine Openeye Name: 4-(8-benzylsulfanyl-2-chloro-pyrimido[5,4-d]pyrimidin-4-yl)-2-methyl-morpholine CAS Name: 4-[2-chloro-8-(phenylmethylthio)-4-pyrimido[5,4-d]pyrimidinyl]-2-methylmorpholine IUPAC Name: 4-(8-benzylsulfanyl-2-chloropyrimido[5,4-d]pyrimidin-4-yl)-2-methylmorpholine Traditional Name: 4-[8-(benzylthio)-2-chloro-pyrimido[5,4-d]pyrimidin-4-yl]-2-methyl-morpholine Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCO1)C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC=C4)Cl

InChI

InChI=1S/C18H18ClN5OS/c1-12-9-24(7-8-25-12)16-14-15(22-18(19)23-16)17(21-11-20-14)26-10-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3