6-azanyl-3-methyl-5-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-methyl-5-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-methyl-5-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-methyl-5-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-methyl-5-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]acetyl]pyrimidine-2,4-quinone Formula: C24H27N9O3 MolecularWeight: 489.52968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)C4=C(N(C(=O)N(C4=O)C)CC5=CC=CC=C5)N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)C4=C(N(C(=O)N(C4=O)C)CC5=CC=CC=C5)N

InChI

InChI=1S/C24H27N9O3/c1-29-23(35)19(20(25)33(24(29)36)13-16-6-4-3-5-7-16)18(34)14-31-8-10-32(11-9-31)22-17-12-28-30(2)21(17)26-15-27-22/h3-7,12,15H,8-11,13-14,25H2,1-2H3