5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazoline-2,4-diamine ethanoate hydrate

Systemtic Name: 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazoline-2,4-diamine ethanoate hydrate Openeye Name: 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine acetate hydrate CAS Name: 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine acetate hydrate IUPAC Name: 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine acetate hydrate Traditional Name: (2,4-diamino-5-methyl-quinazolin-6-yl)methyl-(3,4,5-trimethoxyphenyl)amine acetate hydrate Formula: C21H28N5O6- MolecularWeight: 446.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.CC(=O)[O-].O

Isomeric SMILES

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.CC(=O)[O-].O

InChI

InChI=1S/C19H23N5O3.C2H4O2.H2O/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;1-2(3)4;/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1H3,(H,3,4);1H2/p-1