6-azanyl-5-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-(3-methylbutyl)amino]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-(3-methylbutyl)amino]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[(7-ethyl-2-oxo-chromen-4-yl)methyl-isopentyl-amino]pyrimidine-2,4-dione CAS Name: 6-amino-5-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl-(3-methylbutyl)amino]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[(7-ethyl-2-oxochromen-4-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[(7-ethyl-2-keto-chromen-4-yl)methyl-isoamyl-amino]pyrimidine-2,4-quinone Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(CCC(C)C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(CCC(C)C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

InChI

InChI=1S/C28H32N4O4/c1-4-19-10-11-22-21(15-24(33)36-23(22)14-19)17-31(13-12-18(2)3)25-26(29)32(28(35)30-27(25)34)16-20-8-6-5-7-9-20/h5-11,14-15,18H,4,12-13,16-17,29H2,1-3H3,(H,30,34,35)