2,6-dimethyl-4-[8-(phenylmethylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine

Systemtic Name: 2,6-dimethyl-4-[8-(phenylmethylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-(8-benzylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)-2,6-dimethyl-morpholine CAS Name: 2,6-dimethyl-4-[8-(phenylmethylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-(8-benzylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine Traditional Name: 4-[8-(benzylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]-2,6-dimethyl-morpholine Formula: C23H29N7OS MolecularWeight: 451.58766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC=C4)N5CCNCC5

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC=C4)N5CCNCC5

InChI

InChI=1S/C23H29N7OS/c1-16-12-30(13-17(2)31-16)21-19-20(27-23(28-21)29-10-8-24-9-11-29)22(26-15-25-19)32-14-18-6-4-3-5-7-18/h3-7,15-17,24H,8-14H2,1-2H3