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

Systemtic Name: 1-[6-[5-azanyl-3-[(4-morpholin-4-ylphenyl)amino]-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one Openeye Name: 1-[6-[5-amino-3-(4-morpholinoanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one CAS Name: 1-[6-[5-amino-3-[4-(4-morpholinyl)anilino]-1,2,4-triazol-1-yl]-4-pyrimidinyl]-1,4-diazepan-5-one IUPAC Name: 1-[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one Traditional Name: 1-[6-[5-amino-3-(4-morpholinoanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one Formula: C21H26N10O2 MolecularWeight: 450.49694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C2=NC=NC(=C2)N3C(=NC(=N3)NC4=CC=C(C=C4)N5CCOCC5)N

Isomeric SMILES

C1CN(CCNC1=O)C2=NC=NC(=C2)N3C(=NC(=N3)NC4=CC=C(C=C4)N5CCOCC5)N

InChI

InChI=1S/C21H26N10O2/c22-20-27-21(26-15-1-3-16(4-2-15)29-9-11-33-12-10-29)28-31(20)18-13-17(24-14-25-18)30-7-5-19(32)23-6-8-30/h1-4,13-14H,5-12H2,(H,23,32)(H3,22,26,27,28)