1-[5-[1-cyclopropyl-2,6-bis(oxidanylidene)-3-propyl-7H-purin-8-yl]pyridin-2-yl]-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[5-[1-cyclopropyl-2,6-bis(oxidanylidene)-3-propyl-7H-purin-8-yl]pyridin-2-yl]-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridyl]-5-methyl-N-[2-(1-piperidyl)ethyl]pyrazole-3-carboxamide CAS Name: 1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-[2-(1-piperidinyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)pyridin-2-yl]-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 1-[5-(1-cyclopropyl-2,6-diketo-3-propyl-7H-purin-8-yl)-2-pyridyl]-5-methyl-N-(2-piperidinoethyl)pyrazole-3-carboxamide Formula: C28H35N9O3 MolecularWeight: 545.636

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C3CC3)NC(=N2)C4=CN=C(C=C4)N5C(=CC(=N5)C(=O)NCCN6CCCCC6)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C3CC3)NC(=N2)C4=CN=C(C=C4)N5C(=CC(=N5)C(=O)NCCN6CCCCC6)C

InChI

InChI=1S/C28H35N9O3/c1-3-12-35-25-23(27(39)36(28(35)40)20-8-9-20)31-24(32-25)19-7-10-22(30-17-19)37-18(2)16-21(33-37)26(38)29-11-15-34-13-5-4-6-14-34/h7,10,16-17,20H,3-6,8-9,11-15H2,1-2H3,(H,29,38)(H,31,32)