1-[4-(3-ethyl-7-morpholin-4-yl-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazin-1-yl)carbonylphenyl]urea

Systemtic Name: 1-[4-(3-ethyl-7-morpholin-4-yl-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazin-1-yl)carbonylphenyl]urea Openeye Name: 1-[4-(3-ethyl-7-morpholino-triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea CAS Name: 1-[4-[3-ethyl-7-(4-morpholinyl)-5-triazolo[4,5-d]pyrimidinyl]phenyl]-3-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]urea IUPAC Name: 1-[4-(3-ethyl-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea Traditional Name: 1-[4-(3-ethyl-7-morpholino-triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea Formula: C29H34N10O3 MolecularWeight: 570.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)N5CCN(CC5)C)N6CCOCC6)N=N1

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)N5CCN(CC5)C)N6CCOCC6)N=N1

InChI

InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)