[2-azanyl-6-[(4-bromophenyl)methyl]-4-piperidin-4-yl-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone

Systemtic Name: [2-azanyl-6-[(4-bromophenyl)methyl]-4-piperidin-4-yl-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone Openeye Name: [2-amino-6-[(4-bromophenyl)methyl]-4-(4-piperidyl)-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone CAS Name: [2-amino-6-[(4-bromophenyl)methyl]-4-(4-piperidinyl)-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: [2-amino-6-[(4-bromophenyl)methyl]-4-piperidin-4-yl-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone Traditional Name: [2-amino-6-(4-bromobenzyl)-4-(4-piperidyl)-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone Formula: C24H25BrN4O3 MolecularWeight: 497.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2C=C(N=C(N2C(=O)C3=CC4=C(C=C3)OCO4)N)CC5=CC=C(C=C5)Br

Isomeric SMILES

C1CNCCC1C2C=C(N=C(N2C(=O)C3=CC4=C(C=C3)OCO4)N)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C24H25BrN4O3/c25-18-4-1-15(2-5-18)11-19-13-20(16-7-9-27-10-8-16)29(24(26)28-19)23(30)17-3-6-21-22(12-17)32-14-31-21/h1-6,12-13,16,20,27H,7-11,14H2,(H2,26,28)