[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(6-pyrrolidinopyrimidin-4-yl)piperazino]-(3,4,5-trimethoxyphenyl)methanone Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C22H29N5O4/c1-29-17-12-16(13-18(30-2)21(17)31-3)22(28)27-10-8-26(9-11-27)20-14-19(23-15-24-20)25-6-4-5-7-25/h12-15H,4-11H2,1-3H3