6-[(naphthalen-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine hydrate

Systemtic Name: 6-[(naphthalen-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine hydrate Openeye Name: 6-[(1-naphthylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine hydrate CAS Name: 6-[(1-naphthalenylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine hydrate IUPAC Name: 6-[(naphthalen-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine hydrate Traditional Name: (2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-(1-naphthyl)amine hydrate Formula: C18H18N6O MolecularWeight: 334.37512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NCC3=CN=C4C(=C3)C(=NC(=N4)N)N.O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NCC3=CN=C4C(=C3)C(=NC(=N4)N)N.O

InChI

InChI=1S/C18H16N6.H2O/c19-16-14-8-11(10-22-17(14)24-18(20)23-16)9-21-15-7-3-5-12-4-1-2-6-13(12)15;/h1-8,10,21H,9H2,(H4,19,20,22,23,24);1H2