8-[6-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]pyridin-3-yl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione

Systemtic Name: 8-[6-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]pyridin-3-yl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione Openeye Name: 8-[6-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-3-pyridyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione CAS Name: 8-[6-[3,5-bis(4-methoxyphenyl)-1-pyrazolyl]-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione IUPAC Name: 8-[6-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]pyridin-3-yl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione Traditional Name: 8-[6-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-3-pyridyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-quinone Formula: C33H31N7O4 MolecularWeight: 589.64374

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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)C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C3CC3)NC(=N2)C4=CN=C(C=C4)N5C(=CC(=N5)C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

InChI

InChI=1S/C33H31N7O4/c1-4-17-38-31-29(32(41)39(33(38)42)23-10-11-23)35-30(36-31)22-9-16-28(34-19-22)40-27(21-7-14-25(44-3)15-8-21)18-26(37-40)20-5-12-24(43-2)13-6-20/h5-9,12-16,18-19,23H,4,10-11,17H2,1-3H3,(H,35,36)