ethyl 4-[[2,4-bis(azanyl)-7-(methylamino)pteridin-6-yl]methyl-methyl-amino]benzoate

Systemtic Name: ethyl 4-[[2,4-bis(azanyl)-7-(methylamino)pteridin-6-yl]methyl-methyl-amino]benzoate Openeye Name: ethyl 4-[[2,4-diamino-7-(methylamino)pteridin-6-yl]methyl-methyl-amino]benzoate CAS Name: 4-[[2,4-diamino-7-(methylamino)-6-pteridinyl]methyl-methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2,4-diamino-7-(methylamino)pteridin-6-yl]methyl-methylamino]benzoate Traditional Name: 4-[[2,4-diamino-7-(methylamino)pteridin-6-yl]methyl-methyl-amino]benzoic acid ethyl ester Formula: C18H22N8O2 MolecularWeight: 382.41968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N=C2NC)N=C(N=C3N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N=C2NC)N=C(N=C3N)N

InChI

InChI=1S/C18H22N8O2/c1-4-28-17(27)10-5-7-11(8-6-10)26(3)9-12-15(21-2)24-16-13(22-12)14(19)23-18(20)25-16/h5-8H,4,9H2,1-3H3,(H5,19,20,21,23,24,25)