N6-methyl-N6-(phenylmethyl)quinazoline-2,4,6-triamine hydrate hydrochloride

Systemtic Name: N6-methyl-N6-(phenylmethyl)quinazoline-2,4,6-triamine hydrate hydrochloride Openeye Name: N6-benzyl-N6-methyl-quinazoline-2,4,6-triamine hydrate hydrochloride CAS Name: N6-methyl-N6-(phenylmethyl)quinazoline-2,4,6-triamine hydrate hydrochloride IUPAC Name: 6-N-benzyl-6-N-methylquinazoline-2,4,6-triamine hydrate hydrochloride Traditional Name: benzyl-(2,4-diaminoquinazolin-6-yl)-methyl-amine hydrate hydrochloride Formula: C16H20ClN5O MolecularWeight: 333.8159

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N=C3N)N.O.Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N=C3N)N.O.Cl

InChI

InChI=1S/C16H17N5.ClH.H2O/c1-21(10-11-5-3-2-4-6-11)12-7-8-14-13(9-12)15(17)20-16(18)19-14;;/h2-9H,10H2,1H3,(H4,17,18,19,20);1H;1H2