[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-pteridin-4-ylpiperidin-4-yl)methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-pteridin-4-ylpiperidin-4-yl)methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-pteridin-4-yl-4-piperidyl)methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(4-pteridinyl)-4-piperidinyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-pteridin-4-ylpiperidin-4-yl)methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(1-pteridin-4-yl-4-piperidyl)methanone Formula: C24H29N7O MolecularWeight: 431.53336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=NC5=NC=CN=C54)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=NC5=NC=CN=C54)C

InChI

InChI=1S/C24H29N7O/c1-17-4-3-5-20(18(17)2)29-12-14-31(15-13-29)24(32)19-6-10-30(11-7-19)23-21-22(27-16-28-23)26-9-8-25-21/h3-5,8-9,16,19H,6-7,10-15H2,1-2H3