5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine; ethanoic acid

Systemtic Name: 5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine; ethanoic acid Openeye Name: acetic acid; 5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: acetic acid; 5-[(7,8-dimethoxy-2H-1-benzopyran-5-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: acetic acid; 5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: acetic acid; [2-amino-5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidin-4-yl]amine Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C2=C(C=CCO2)C(=C1)CC3=CN=C(N=C3N)N)OC

Isomeric SMILES

CC(=O)O.COC1=C(C2=C(C=CCO2)C(=C1)CC3=CN=C(N=C3N)N)OC

InChI

InChI=1S/C16H18N4O3.C2H4O2/c1-21-12-7-9(6-10-8-19-16(18)20-15(10)17)11-4-3-5-23-13(11)14(12)22-2;1-2(3)4/h3-4,7-8H,5-6H2,1-2H3,(H4,17,18,19,20);1H3,(H,3,4)