2-[[4-(furan-2-ylmethylamino)-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[4-(furan-2-ylmethylamino)-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(2-furylmethylamino)-6-piperazin-1-yl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(2-furanylmethylamino)-6-(1-piperazinyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(furan-2-ylmethylamino)-6-piperazin-1-ylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(2-furfurylamino)-6-piperazino-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C18H21N7O3S MolecularWeight: 415.46944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)NCC3=CC=CO3)N4CCNCC4)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)NCC3=CC=CO3)N4CCNCC4)C(=O)O

InChI

InChI=1S/C18H21N7O3S/c1-11-15(16(26)27)29-18(21-11)24-17-22-13(20-10-12-3-2-8-28-12)9-14(23-17)25-6-4-19-5-7-25/h2-3,8-9,19H,4-7,10H2,1H3,(H,26,27)(H2,20,21,22,23,24)