[4-(2-azanyl-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

Systemtic Name: [4-(2-azanyl-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Openeye Name: [4-(2-amino-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-[4-(1-piperidyl)-1-piperidyl]methanone CAS Name: [4-(2-amino-5-phenyl-4-pyrimidinyl)-1H-pyrrol-2-yl]-[4-(1-piperidinyl)-1-piperidinyl]methanone IUPAC Name: [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Traditional Name: [4-(2-amino-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-(4-piperidinopiperidino)methanone Formula: C25H30N6O MolecularWeight: 430.5453

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=CN3)C4=NC(=NC=C4C5=CC=CC=C5)N

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=CN3)C4=NC(=NC=C4C5=CC=CC=C5)N

InChI

InChI=1S/C25H30N6O/c26-25-28-17-21(18-7-3-1-4-8-18)23(29-25)19-15-22(27-16-19)24(32)31-13-9-20(10-14-31)30-11-5-2-6-12-30/h1,3-4,7-8,15-17,20,27H,2,5-6,9-14H2,(H2,26,28,29)