[4-[2-azanyl-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

Systemtic Name: [4-[2-azanyl-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Openeye Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-[4-(1-piperidyl)-1-piperidyl]methanone CAS Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-[4-(1-piperidinyl)-1-piperidinyl]methanone IUPAC Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Traditional Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidinopiperidino)methanone Formula: C27H34N6O3 MolecularWeight: 490.59726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCC(CC4)N5CCCCC5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCC(CC4)N5CCCCC5)N)OC

InChI

InChI=1S/C27H34N6O3/c1-35-23-7-6-18(15-24(23)36-2)21-17-30-27(28)31-25(21)19-14-22(29-16-19)26(34)33-12-8-20(9-13-33)32-10-4-3-5-11-32/h6-7,14-17,20,29H,3-5,8-13H2,1-2H3,(H2,28,30,31)