6-azanyl-5-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-ethyl-amino]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-ethyl-amino]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[[2-(azepan-1-yl)-2-oxo-ethyl]-ethyl-amino]-1-benzyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[[2-(1-azepanyl)-2-oxoethyl]-ethylamino]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[[2-(azepan-1-yl)-2-oxoethyl]-ethylamino]-1-benzylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[[2-(azepan-1-yl)-2-keto-ethyl]-ethyl-amino]-1-benzyl-pyrimidine-2,4-quinone Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)N1CCCCCC1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CCN(CC(=O)N1CCCCCC1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H29N5O3/c1-2-24(15-17(27)25-12-8-3-4-9-13-25)18-19(22)26(21(29)23-20(18)28)14-16-10-6-5-7-11-16/h5-7,10-11H,2-4,8-9,12-15,22H2,1H3,(H,23,28,29)