6-azanyl-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-3-[2-(azepan-1-yl)-2-oxo-ethyl]-1-benzyl-pyrimidine-2,4-dione CAS Name: 6-amino-3-[2-(1-azepanyl)-2-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpyrimidine-2,4-dione Traditional Name: 6-amino-3-[2-(azepan-1-yl)-2-keto-ethyl]-1-benzyl-pyrimidine-2,4-quinone Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C=C(N(C2=O)CC3=CC=CC=C3)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C=C(N(C2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C19H24N4O3/c20-16-12-17(24)23(14-18(25)21-10-6-1-2-7-11-21)19(26)22(16)13-15-8-4-3-5-9-15/h3-5,8-9,12H,1-2,6-7,10-11,13-14,20H2