4-[8-[(4-methoxyphenyl)methylsulfanyl]-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine

Systemtic Name: 4-[8-[(4-methoxyphenyl)methylsulfanyl]-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-[8-[(4-methoxyphenyl)methylsulfanyl]-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine CAS Name: 4-[8-[(4-methoxyphenyl)methylthio]-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-[8-[(4-methoxyphenyl)methylsulfanyl]-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]morpholine Traditional Name: 4-[8-(p-anisylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Formula: C22H27N7O2S MolecularWeight: 453.56048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NC=NC3=C2N=C(N=C3N4CCOCC4)N5CCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NC=NC3=C2N=C(N=C3N4CCOCC4)N5CCNCC5

InChI

InChI=1S/C22H27N7O2S/c1-30-17-4-2-16(3-5-17)14-32-21-19-18(24-15-25-21)20(28-10-12-31-13-11-28)27-22(26-19)29-8-6-23-7-9-29/h2-5,15,23H,6-14H2,1H3