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

Systemtic Name: 6-azanyl-5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]-1-benzyl-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-methyl-5-[2-(4-piperonylpiperazino)acetyl]pyrimidine-2,4-quinone Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N5O5/c1-28-25(33)23(24(27)31(26(28)34)15-18-5-3-2-4-6-18)20(32)16-30-11-9-29(10-12-30)14-19-7-8-21-22(13-19)36-17-35-21/h2-8,13H,9-12,14-17,27H2,1H3