4-[2-azanyl-4-[(3-ethyl-4-methyl-phenyl)amino]-6-oxidanylidene-pyrimidin-1-yl]butyl 2-chloranylethanoate

Systemtic Name: 4-[2-azanyl-4-[(3-ethyl-4-methyl-phenyl)amino]-6-oxidanylidene-pyrimidin-1-yl]butyl 2-chloranylethanoate Openeye Name: 4-[2-amino-4-(3-ethyl-4-methyl-anilino)-6-oxo-pyrimidin-1-yl]butyl 2-chloroacetate CAS Name: 2-chloroacetic acid 4-[2-amino-4-(3-ethyl-4-methylanilino)-6-oxo-1-pyrimidinyl]butyl ester IUPAC Name: 4-[2-amino-4-(3-ethyl-4-methylanilino)-6-oxopyrimidin-1-yl]butyl 2-chloroacetate Traditional Name: 2-chloroacetic acid 4-[2-amino-4-(3-ethyl-4-methyl-anilino)-6-keto-pyrimidin-1-yl]butyl ester Formula: C19H25ClN4O3 MolecularWeight: 392.8798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=N2)N)CCCCOC(=O)CCl)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=N2)N)CCCCOC(=O)CCl)C

InChI

InChI=1S/C19H25ClN4O3/c1-3-14-10-15(7-6-13(14)2)22-16-11-17(25)24(19(21)23-16)8-4-5-9-27-18(26)12-20/h6-7,10-11,22H,3-5,8-9,12H2,1-2H3,(H2,21,23)