N-[(4-methoxyphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-p-anisyl-4-(6-pyrrolidinopyrimidin-4-yl)piperazine-1-carboxamide Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C21H28N6O2/c1-29-18-6-4-17(5-7-18)15-22-21(28)27-12-10-26(11-13-27)20-14-19(23-16-24-20)25-8-2-3-9-25/h4-7,14,16H,2-3,8-13,15H2,1H3,(H,22,28)