1-[4-[6-[5-azanyl-3-[(4-morpholin-4-ylphenyl)amino]-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-[6-[5-azanyl-3-[(4-morpholin-4-ylphenyl)amino]-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-[6-[5-amino-3-(4-morpholinoanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-[6-[5-amino-3-[4-(4-morpholinyl)anilino]-1,2,4-triazol-1-yl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-methoxyethanone IUPAC Name: 1-[4-[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-methoxyethanone Traditional Name: 1-[4-[6-[5-amino-3-(4-morpholinoanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-methoxy-ethanone Formula: C24H32N10O3 MolecularWeight: 508.57608

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCCN(CC1)C2=NC=NC(=C2)N3C(=NC(=N3)NC4=CC=C(C=C4)N5CCOCC5)N

Isomeric SMILES

COCC(=O)N1CCCN(CC1)C2=NC=NC(=C2)N3C(=NC(=N3)NC4=CC=C(C=C4)N5CCOCC5)N

InChI

InChI=1S/C24H32N10O3/c1-36-16-22(35)33-8-2-7-32(9-10-33)20-15-21(27-17-26-20)34-23(25)29-24(30-34)28-18-3-5-19(6-4-18)31-11-13-37-14-12-31/h3-6,15,17H,2,7-14,16H2,1H3,(H3,25,28,29,30)