[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl-(pyridin-4-ylmethyl)amino] ethanoate

Systemtic Name: [3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl-(pyridin-4-ylmethyl)amino] ethanoate Openeye Name: [3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(4-pyridylmethyl)amino] acetate CAS Name: acetic acid [3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(pyridin-4-ylmethyl)amino] ester IUPAC Name: [3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl-(pyridin-4-ylmethyl)amino] acetate Traditional Name: acetic acid [3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl-(4-pyridylmethyl)amino] ester Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCN(CC2=CC=NC=C2)OC(=O)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCN(CC2=CC=NC=C2)OC(=O)C

InChI

InChI=1S/C16H21N5O3/c1-11-14(15(23)20-16(17)19-11)4-3-9-21(24-12(2)22)10-13-5-7-18-8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H3,17,19,20,23)