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

Systemtic Name: 1-[4-[6-[5-azanyl-3-[(4-dimethylaminophenyl)amino]-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[6-[5-amino-3-[4-(dimethylamino)anilino]-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[6-[5-amino-3-[4-(dimethylamino)anilino]-1,2,4-triazol-1-yl]-4-pyrimidinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[6-[5-amino-3-[4-(dimethylamino)anilino]-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[6-[5-amino-3-[4-(dimethylamino)anilino]-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Formula: C21H28N10O MolecularWeight: 436.51342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N10O/c1-15(32)29-9-4-10-30(12-11-29)18-13-19(24-14-23-18)31-20(22)26-21(27-31)25-16-5-7-17(8-6-16)28(2)3/h5-8,13-14H,4,9-12H2,1-3H3,(H3,22,25,26,27)