6-(4-methoxyphenyl)-4-pyrrolidin-1-yl-pteridin-2-amine dihydrate

Systemtic Name: 6-(4-methoxyphenyl)-4-pyrrolidin-1-yl-pteridin-2-amine dihydrate Openeye Name: 6-(4-methoxyphenyl)-4-pyrrolidin-1-yl-pteridin-2-amine dihydrate CAS Name: 6-(4-methoxyphenyl)-4-(1-pyrrolidinyl)-2-pteridinamine dihydrate IUPAC Name: 6-(4-methoxyphenyl)-4-pyrrolidin-1-ylpteridin-2-amine dihydrate Traditional Name: [6-(4-methoxyphenyl)-4-pyrrolidino-pteridin-2-yl]amine dihydrate Formula: C17H22N6O3 MolecularWeight: 358.39498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCCC4.O.O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCCC4.O.O

InChI

InChI=1S/C17H18N6O.2H2O/c1-24-12-6-4-11(5-7-12)13-10-19-15-14(20-13)16(22-17(18)21-15)23-8-2-3-9-23;;/h4-7,10H,2-3,8-9H2,1H3,(H2,18,19,21,22);2*1H2