2-azanyl-3-[4-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]-2-piperazin-1-yl-phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-azanyl-3-[4-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]-2-piperazin-1-yl-phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)-2-piperazin-1-yl-phenyl]-3-oxo-propanoic acid CAS Name: 2-amino-3-[4-(2,4-diamino-6-methyl-5-pyrimidinyl)-2-(1-piperazinyl)phenyl]-3-oxopropanoic acid IUPAC Name: 2-amino-3-[4-(2,4-diamino-6-methylpyrimidin-5-yl)-2-piperazin-1-ylphenyl]-3-oxopropanoic acid Traditional Name: 2-amino-3-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)-2-piperazino-phenyl]-3-keto-propionic acid Formula: C18H23N7O3 MolecularWeight: 385.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)C(=O)C(C(=O)O)N)N3CCNCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)C(=O)C(C(=O)O)N)N3CCNCC3

InChI

InChI=1S/C18H23N7O3/c1-9-13(16(20)24-18(21)23-9)10-2-3-11(15(26)14(19)17(27)28)12(8-10)25-6-4-22-5-7-25/h2-3,8,14,22H,4-7,19H2,1H3,(H,27,28)(H4,20,21,23,24)